3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole

C14H11BrN2O2 — CID 718812

IUPAC3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(CCc3ccccc3)n2)o1
InChIInChI=1S/C14H11BrN2O2/c15-12-8-7-11(18-12)14-16-13(19-17-14)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyDGTBUSDRHDFRAW-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.88
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole

3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole (PubChem CID 718812) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole
PubChem CID718812
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILESBrc1ccc(-c2noc(CCc3ccccc3)n2)o1
InChIInChI=1S/C14H11BrN2O2/c15-12-8-7-11(18-12)14-16-13(19-17-14)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2
InChIKeyDGTBUSDRHDFRAW-UHFFFAOYSA-N
XLogP3.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole (CID 718812) is 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole is Brc1ccc(-c2noc(CCc3ccccc3)n2)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is DGTBUSDRHDFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-12-8-7-11(18-12)14-16-13(19-17-14)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2.
What are the key properties of 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 319.16 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-(2-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 718812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).